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	hartrees
Energy at 0K	-21.584574
Energy at 298.15K	-21.583321
HF Energy	-21.584574
Nuclear repulsion energy	10.879548

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.667
O2	0.000	0.000	0.500

	C1	O2
C1		1.1674
O2	1.1674

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.023
2	O	-0.023

	x	y	z	Total
	0.000	0.000	-0.065	0.065
CHELPG
AIM
ESP

All results from a given calculation for CO (Carbon monoxide)

using model chemistry: B3PW91/CEP-121G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	10.167
(<r²>)^1/2	3.189